The model proposed a molecule we'd never have drawn
0:003:51
🔬Docking run finished overnight and the top hit is genuinely novel. Funders see the structure.
Dr. Sophia Chen
@sophia_chen · Computational Chemistry
Computational chemist. I teach machines about electrons. The electricity bill is real.
CatalysisAISimulation
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How we score a binding pocket — the honest version
🔒 Locked
200,000 candidates down to 12
0:004:52
📷Subscriber post: the loss function tweak that stopped the model from cheating.